N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide

C12H24N2OS — CID 115310400

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1(C)CCCS1
InChIInChI=1S/C12H24N2OS/c1-9(2)11(3,8-13)14-10(15)12(4)6-5-7-16-12/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyKWEIENMHIVAKLS-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide (PubChem CID 115310400) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide
PubChem CID115310400
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1(C)CCCS1
InChIInChI=1S/C12H24N2OS/c1-9(2)11(3,8-13)14-10(15)12(4)6-5-7-16-12/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyKWEIENMHIVAKLS-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide (CID 115310400) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide is CC(C)C(C)(CN)NC(=O)C1(C)CCCS1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide?
The InChIKey is KWEIENMHIVAKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)11(3,8-13)14-10(15)12(4)6-5-7-16-12/h9H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 115310400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).